SCHEMBL2799428

SCHEMBL2799428

Cc1cc(F)ccc1Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(Br)cnn12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MGLL Q99685 1/20 0.40
F11 P03951 1/20 0.40
SCD5 Q86SK9 3/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 2/20 0.39
FASN P49327 3/20 0.38
PDE4B Q07343 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.38
SPR P35270 2/20 0.37
ATM Q13315 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2800070 0.92 ALDH1A1 (0.47) ALDH1A1MGLLF11SCD5NPC1
SCHEMBL2799653 0.91 NPC1 (0.42) ALDH1A1MGLLF11SCD5NPC1
SCHEMBL2801106 0.90 ALDH1A1 (0.46) ALDH1A1MGLLNPC1KMT2AKDM4E
SCHEMBL14471745 0.89 ALDH1A1 (0.43) ALDH1A1MGLLF11SCD5NPC1
SCHEMBL2800139 0.87 FASN (0.42) ALDH1A1SMN1; SMN2FASNLMNA
SCHEMBL2802498 0.87 ALDH1A1 (0.40) ALDH1A1MGLLF11SCD5KMT2A
SCHEMBL15915383 0.87 ALDH1A1 (0.43) ALDH1A1MGLLF11SCD5NPC1
SCHEMBL2803133 0.87 ALDH1A1 (0.43) ALDH1A1MGLLF11NPC1KMT2A
SCHEMBL2801190 0.87 TP53 (0.43) ALDH1A1MGLLF11SCD5NPC1
SCHEMBL2798936 0.86 ALDH1A1 (0.45) ALDH1A1NPC1SMN1; SMN2KMT2ARAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 ALDH1A1 243/4885MGLL 4369/4885F11 2117/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.